CID 255448

Tcmdc-123940

Structural Information

Molecular Formula
C15H11NO3
SMILES
COC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3C2=O)[O-]
InChI
InChI=1S/C15H11NO3/c1-19-11-8-6-10(7-9-11)14-15(17)12-4-2-3-5-13(12)16(14)18/h2-9H,1H3
InChIKey
ZPCJCVQIWZJBSH-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-1-oxidoindol-1-ium-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

253.0739 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08118 156.2
[M+Na]+ 276.06312 166.2
[M-H]- 252.06662 162.4
[M+NH4]+ 271.10772 173.9
[M+K]+ 292.03706 157.1
[M+H-H2O]+ 236.07116 153.5
[M+HCOO]- 298.07210 179.2
[M+CH3COO]- 312.08775 185.3
[M+Na-2H]- 274.04857 162.9
[M]+ 253.07335 156.8
[M]- 253.07445 156.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.